BindingDB logo
myBDB logout

null

SMILES: Cc1ccc(Nc2ncc(c(N[C@H]3CC[C@H](O)CC3)n2)-c2ccc(CN3CCCC3)cn2)cc1

InChI Key: InChIKey=VNPYBQLMWOYRMR-AFARHQOCSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 308335   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein kinase Mer


(Homo sapiens (Human))
BDBM308335
PNG
(US9649309, Compound UNC4242A)
Show SMILES Cc1ccc(Nc2ncc(c(N[C@H]3CC[C@H](O)CC3)n2)-c2ccc(CN3CCCC3)cn2)cc1 |r,wU:12.11,wD:15.15,(-9.19,-.77,;-7.85,-1.54,;-7.85,-3.08,;-6.52,-3.85,;-5.19,-3.08,;-3.85,-3.85,;-2.52,-3.08,;-1.18,-3.85,;.15,-3.08,;.15,-1.54,;-1.18,-.77,;-1.18,.77,;-2.52,1.54,;-3.85,.77,;-5.19,1.54,;-5.19,3.08,;-6.52,3.85,;-3.85,3.85,;-2.52,3.08,;-2.52,-1.54,;1.48,-.77,;2.82,-1.54,;4.15,-.77,;4.15,.77,;5.48,1.54,;6.82,.77,;6.82,-.77,;8.28,-1.25,;9.19,,;8.28,1.25,;2.82,1.54,;1.48,.77,;-5.19,-1.54,;-6.52,-.77,)|
Show InChI InChI=1S/C27H34N6O/c1-19-4-7-22(8-5-19)31-27-29-17-24(26(32-27)30-21-9-11-23(34)12-10-21)25-13-6-20(16-28-25)18-33-14-2-3-15-33/h4-8,13,16-17,21,23,34H,2-3,9-12,14-15,18H2,1H3,(H2,29,30,31,32)/t21-,23-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1n/an/an/an/an/an/a



The University of North Carolina at Chapel Hill

US Patent


Assay Description
Briefly, activity assays were performed in a 384 well, polypropylene microplate in a final volume of 50 μL of 50 mM Hepes, Ph 7.4 containing 10 ...


US Patent US9649309 (2017)


BindingDB Entry DOI: 10.7270/Q26Q209H
More data for this
Ligand-Target Pair
Growth arrest-specific protein 6


(Homo sapiens (Human))
BDBM308335
PNG
(US9649309, Compound UNC4242A)
Show SMILES Cc1ccc(Nc2ncc(c(N[C@H]3CC[C@H](O)CC3)n2)-c2ccc(CN3CCCC3)cn2)cc1 |r,wU:12.11,wD:15.15,(-9.19,-.77,;-7.85,-1.54,;-7.85,-3.08,;-6.52,-3.85,;-5.19,-3.08,;-3.85,-3.85,;-2.52,-3.08,;-1.18,-3.85,;.15,-3.08,;.15,-1.54,;-1.18,-.77,;-1.18,.77,;-2.52,1.54,;-3.85,.77,;-5.19,1.54,;-5.19,3.08,;-6.52,3.85,;-3.85,3.85,;-2.52,3.08,;-2.52,-1.54,;1.48,-.77,;2.82,-1.54,;4.15,-.77,;4.15,.77,;5.48,1.54,;6.82,.77,;6.82,-.77,;8.28,-1.25,;9.19,,;8.28,1.25,;2.82,1.54,;1.48,.77,;-5.19,-1.54,;-6.52,-.77,)|
Show InChI InChI=1S/C27H34N6O/c1-19-4-7-22(8-5-19)31-27-29-17-24(26(32-27)30-21-9-11-23(34)12-10-21)25-13-6-20(16-28-25)18-33-14-2-3-15-33/h4-8,13,16-17,21,23,34H,2-3,9-12,14-15,18H2,1H3,(H2,29,30,31,32)/t21-,23-
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.20n/an/an/an/an/an/a



The University of North Carolina at Chapel Hill

US Patent


Assay Description
Briefly, activity assays were performed in a 384 well, polypropylene microplate in a final volume of 50 μL of 50 mM Hepes, Ph 7.4 containing 10 ...


US Patent US9649309 (2017)


BindingDB Entry DOI: 10.7270/Q26Q209H
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 [K633Q]


(Homo sapiens (Human))
BDBM308335
PNG
(US9649309, Compound UNC4242A)
Show SMILES Cc1ccc(Nc2ncc(c(N[C@H]3CC[C@H](O)CC3)n2)-c2ccc(CN3CCCC3)cn2)cc1 |r,wU:12.11,wD:15.15,(-9.19,-.77,;-7.85,-1.54,;-7.85,-3.08,;-6.52,-3.85,;-5.19,-3.08,;-3.85,-3.85,;-2.52,-3.08,;-1.18,-3.85,;.15,-3.08,;.15,-1.54,;-1.18,-.77,;-1.18,.77,;-2.52,1.54,;-3.85,.77,;-5.19,1.54,;-5.19,3.08,;-6.52,3.85,;-3.85,3.85,;-2.52,3.08,;-2.52,-1.54,;1.48,-.77,;2.82,-1.54,;4.15,-.77,;4.15,.77,;5.48,1.54,;6.82,.77,;6.82,-.77,;8.28,-1.25,;9.19,,;8.28,1.25,;2.82,1.54,;1.48,.77,;-5.19,-1.54,;-6.52,-.77,)|
Show InChI InChI=1S/C27H34N6O/c1-19-4-7-22(8-5-19)31-27-29-17-24(26(32-27)30-21-9-11-23(34)12-10-21)25-13-6-20(16-28-25)18-33-14-2-3-15-33/h4-8,13,16-17,21,23,34H,2-3,9-12,14-15,18H2,1H3,(H2,29,30,31,32)/t21-,23-
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.5n/an/an/an/an/an/a



The University of North Carolina at Chapel Hill

US Patent


Assay Description
Briefly, activity assays were performed in a 384 well, polypropylene microplate in a final volume of 50 μL of 50 mM Hepes, Ph 7.4 containing 10 ...


US Patent US9649309 (2017)


BindingDB Entry DOI: 10.7270/Q26Q209H
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor TYRO3


(Homo sapiens (Human))
BDBM308335
PNG
(US9649309, Compound UNC4242A)
Show SMILES Cc1ccc(Nc2ncc(c(N[C@H]3CC[C@H](O)CC3)n2)-c2ccc(CN3CCCC3)cn2)cc1 |r,wU:12.11,wD:15.15,(-9.19,-.77,;-7.85,-1.54,;-7.85,-3.08,;-6.52,-3.85,;-5.19,-3.08,;-3.85,-3.85,;-2.52,-3.08,;-1.18,-3.85,;.15,-3.08,;.15,-1.54,;-1.18,-.77,;-1.18,.77,;-2.52,1.54,;-3.85,.77,;-5.19,1.54,;-5.19,3.08,;-6.52,3.85,;-3.85,3.85,;-2.52,3.08,;-2.52,-1.54,;1.48,-.77,;2.82,-1.54,;4.15,-.77,;4.15,.77,;5.48,1.54,;6.82,.77,;6.82,-.77,;8.28,-1.25,;9.19,,;8.28,1.25,;2.82,1.54,;1.48,.77,;-5.19,-1.54,;-6.52,-.77,)|
Show InChI InChI=1S/C27H34N6O/c1-19-4-7-22(8-5-19)31-27-29-17-24(26(32-27)30-21-9-11-23(34)12-10-21)25-13-6-20(16-28-25)18-33-14-2-3-15-33/h4-8,13,16-17,21,23,34H,2-3,9-12,14-15,18H2,1H3,(H2,29,30,31,32)/t21-,23-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 6.70n/an/an/an/an/an/a



The University of North Carolina at Chapel Hill

US Patent


Assay Description
Briefly, activity assays were performed in a 384 well, polypropylene microplate in a final volume of 50 μL of 50 mM Hepes, Ph 7.4 containing 10 ...


US Patent US9649309 (2017)


BindingDB Entry DOI: 10.7270/Q26Q209H
More data for this
Ligand-Target Pair